%chk=000052145.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052145

1 1
 O  -0.2665000     -0.8547000       1.026500    
 N   -2.722800      1.1000000E-03 -5.6600001E-02
 N   0.8536000      0.7937000     -0.2185000    
 C   -3.965900      0.8132000     -0.3902000    
 C   -2.494400      -1.044800      -1.138200    
 C   -1.516800      0.9266000      1.6600000E-02
 C   -2.913800     -0.6904000       1.285700    
 C   -4.187500       1.851000      0.6884000    
 C   -3.696000      -1.961700      -1.206300    
 C  -0.2525000      0.1660000      0.3464000    
 C    2.208000      0.3916000     -0.1376000    
 C    3.178800       1.150500     -0.7699000    
 C    2.534000     -0.7523000      0.5719000    
 C    4.513800      0.7540000     -0.6904000    
 C    3.869000      -1.148700      0.6516000    
 C    4.859000     -0.3954000      2.0500001E-02
 H   -3.824600       1.275500      -1.373300    
 H   -4.836700      0.1532000     -0.4162000    
 H   -2.339400     -0.5228000      -2.089200    
 H   -1.598500      -1.626000     -0.9025000    
 H   -1.441000       1.442200     -0.9473000    
 H   -1.658300       1.656400      0.8189000    
 H   -2.369800      -1.638700       1.312400    
 H   -2.577800     -3.3700000E-02   2.094700    
 H   -3.977100     -0.9139000       1.427600    
 H   -5.158200       2.330800      0.5121000    
 H   -4.229300       1.448700       1.703200    
 H   -3.454800       2.662000      0.6539000    
 H   -3.458300      -2.791100      -1.883800    
 H   -3.972200      -2.419800     -0.2539000    
 H   -4.575500      -1.478900      -1.641300    
 H   0.6916000       1.645500     -0.7514000    
 H    2.920900       2.047400      -1.326100    
 H    1.827500      -1.387200       1.085500    
 H    5.284700       1.340300      -1.181900    
 H    4.139300      -2.043800       1.204500    
 H    5.898500     -0.7039000      8.2400002E-02


%chk=000052145-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052145

1 1
O -0.187116 -1.120535 0.874469
N -2.793168 -0.046094 0.069255
N 0.890836 0.677564 -0.190700
C -3.990874 0.859172 -0.336936
C -2.599799 -1.145914 -1.024892
C -1.524386 0.820777 0.134786
C -3.063984 -0.692939 1.433122
C -4.217696 2.097978 0.537944
C -3.831467 -2.009598 -1.315488
C -0.207975 0.011852 0.298228
C 2.276617 0.298327 -0.113721
C 3.208548 1.190037 -0.706289
C 2.719372 -0.894286 0.512945
C 4.584651 0.891203 -0.673438
C 4.102597 -1.176442 0.537336
C 5.038030 -0.295129 -0.050318
H -3.810113 1.145751 -1.388589
H -4.877441 0.206597 -0.305862
H -2.278140 -0.603247 -1.932398
H -1.764894 -1.767706 -0.667475
H -1.510666 1.436400 -0.782533
H -1.638256 1.491270 1.003777
H -2.224553 -1.364320 1.661598
H -3.127532 0.095956 2.196848
H -4.016672 -1.239051 1.383553
H -5.122846 2.606357 0.161306
H -4.410023 1.850775 1.595223
H -3.396373 2.831131 0.482019
H -3.527220 -2.767400 -2.059197
H -4.186082 -2.563989 -0.430577
H -4.672856 -1.450893 -1.756381
H 0.730325 1.574272 -0.660261
H 2.864403 2.114114 -1.189899
H 2.000235 -1.578235 0.965158
H 5.299882 1.581680 -1.131248
H 4.448594 -2.095719 1.020965
H 6.107043 -0.527817 -0.024130


